Powder Diffraction Journal

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

Powder Diffraction – Vol. 28 Number 2 – June 2013

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EDITORIAL

Tom Blanton, and George Havrilla
Sixty-first Denver X-ray Conference and selected papers for the special June Powder Diffraction issue (61)

Ting C. Huang
Most download AXA papers in 2012 (62)

TECHNICAL ARTICLES

R. Toro, J. Bruno-Colmenárez, G. Díaz de Delgado, and J.M. Delgado
Structural characterization of a new form of clenbuterol, a well-known decongestant and bronchodilator also used as a performance-enhancing drug (63)

Thomas N. Blanton, and Debasis Majumdar
Characterization of X-ray irradiated graphene oxide coatings using X-ray diffraction, X-ray photoelectron spectroscopy, and atomic force microscopy (68)

Rashmi Chourasia, and O.P. Shrivastava
Synthesis and crystallographic study of cation substituted NZP materials: Na_1+xZr_2−xM_xP₃O₁₂ (M= Sb, Al, Cr and x = 0.1) (72)

R. Blondé, E. Jimenez-Melero, L. Zhao, J.P. Wright, E. Brück, S. van der Zwaag, and N.H. van Dijk
Multi length scale characterization of austenite in TRIP steels using high-energy X-ray diffraction (77)

Mark A. Rodriguez, Megan R. Pearl, Mark H. Van Benthem, James J. M. Griego, and Jamin R. Pillars
TILT-A-WHIRL: a texture analysis package for 3D rendering of pole figures using MATLAB (81)

Pierre Caussin
Comparing existing MAC tables – hints to possible developments (90)

B.K. Tanner, J. Wittge, P. Vagovič, T. Baumbach, D. Allen, P.J. McNally, R. Bytheway, D. Jacques, M.C. Fossati, D.K. Bowen, J. Garagorri, M.R. Elizalde, and A.N. Danilewsky
X-ray diffraction imaging for predictive metrology of crack propagation in 450-mm diameter silicon wafers (95)

Yoshikazu Fujii
Improvement of X-ray reflectivity calculations on a multilayered surface (100)

Krassimir Stoev, and Kenji Sakurai Quick
X-ray reflectivity of spherical samples (105)

Frank R. Feret
Selected applications of Rietveld-XRD analysis for raw materials of the aluminum industry (112)

Takashi Ida, and Fujio Izumi
Analytical method for observed powder diffraction intensity data based on maximum likelihood estimation (124)

Christopher G. Worley, Lav Tandon, Patrick T. Martinez, and Diana L. Decker
Application of micro-XRF for nuclear materials characterization and problem solving (127)

Mitsuru Watanabe, Hisashi Inoue, Yasujiro Yamada, Michael Feeney, Laura Oelofse, and Yoshiyuki Kataoka
XRF analysis of high gain-on-ignition samples by fusion method using fundamental-parameter method (132)

INTERNATIONAL REPORTS

Lisa O’Neill
ICDD Annual Spring Meetings (137)

CALENDAR

Calendar of Forthcoming Meetings (149)

Calendar of Short Courses & Workshops (151)

2013 DXC Program

Denver X-ray Conference Program (152)

ERRATUM

Reference Materials for the Study of Polymorphism and Crystallinity in Cellulosics – ERRATUM (169)

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

Powder Diffraction – Vol. 28 Number 3 – September 2013

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TECHNICAL ARTICLES

Toru Asaka, Tatsunari Kudo, Hiroki Banno, Shiro Funahashi, Naoto Hirosaki and Koichiro Fukuda
Electron density distribution and crystal structure of 21R-AlON, Al₇O₃N₅ (171)

Tomohiro Uchida, Shiho Suehiro, Toru Asaka, Hiromi Nakano and Koichiro Fukuda
Syntheses and crystal structures of Li(Ta_0.89Ti_0.11)O_2.945 and (Li_0.977Eu_0.023)(Ta_0.89Ti_0.11)O_2.968 (178)

Koichi Momma, Takuji Ikeda, Alexei A. Belik and Fujio Izumi
Dysnomia, a computer program for maximum-entropy method (MEM) analysis and its performance in the MEM-based pattern fitting (184)

James A. Kaduk and Thomas N. Blanton
An improved structural model for cellulose II (194)

N. Masciocchi, A. Aulisio, G. Bertolini, M. Sada, F. Garis and L. Malpezzi
Disclosing the extensive crystal chemistry of Ivabradine hydrochloride, in its pure and solvated phases (200)

Piotr Putaj, Bartłomiej Gaweł and Wiesław Łasocha
Ethylenediamine as a bridging ligand: structure solution of two cadmium(II)-based coordination polymers from powder diffraction data (207)

W. Wong-Ng, G. Liu, Y.G. Yan and J.A. Kaduk
Structure and X-ray reference diffraction patterns of (Ba_6−xSr_x)R₂Co₄O₁₅ (x = 1, 2) (R = lanthanides) (212)

R. Casella, S. Boudreau, James A. Wesley and Robert D’Aloise
Quantitative measurement of crystalline impurity in a pharmaceutical tablet by X-ray powder diffraction and method validation (222)

NEW DIFFRACTION DATA

Li Li Zhang, Qing Qing Pan, Dan Xiao, Xiao Qing Wu, Qing Wang and Hui Li
X-ray powder diffraction data for deoxyschisandrin (231)

Qing Wang, Li Li Zhang, Xiao Qing Wu, Qing Qing Pan, Yan Hong Su and Hui Li
X-ray powder diffraction data for inclusion complex of β-cyclodextrin with fraxinellone (234)

R. Pažout, J. Maixner, J. Přech and P. Kačer
X-ray powder diffraction data for [Ru(II) Cl η -6-p-cymene (1R,2R)-N-[((1R,2R)-7,7- dimethyl-2-hydroxy-bicyclo-[2.2.1]- heptan-1-yl)-methansulphonyl]-1,2-diphenylethylene-1,2-diamine] complex (237)

INTERNATIONAL REPORTS

Lan Li
245th American Chemical Society Meeting and Exposition (ACS Spring 2013) (240)

Dirk Carl Meyer and Claudia Baldauf
21st Annual Conference of the German Crystallographic Society (242)

CALENDARS

Gang Wang – Calendar of Short Courses & Workshops Powder Diffraction September 2013 (244)

Gang Wang – Calendar of Forthcoming Meetings Powder Diffraction September 2013 (245)

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

Powder Diffraction – Vol. 28 Supplement Issue- September 2013

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EDITORIAL

X.L. Chen
The 11th Chinese National Conference on X-ray Diffraction and ICDD Workshop (S1)

Ting C. Huang
Supplement issue for selected papers from the 2012 Chinese National Conference on X-ray Diffraction (S2)

TECHNICAL ARTICLES

S.L. Wang, W.L. Li, G.F. Wang, D.Y. Dong, J.J. Shi, X.Y. Li, P.G. Li and W.H. Tang
Crystal structure and electrical transport property of KMF₃ (M= Mn, Co, and Ni) (S3)

Y. Zhang, Y.H. An, Y. Xing, D.Y. Dong, S.L. Wang, J.Q. Shen, P.G. Li and W.H. Tang
Preparation and characterization of La_1.8Sr_0.2CuO₄/La_1.9Sr_0.1CuO₄ superconducting bilayers (S7)

Z. Liu, W. Li, D. Xu, W.-D. Fei and P.P. Jin
Effects of a magnetic field applied during electroplating on the texture and magnetic properties of Ni nanowire arrays (S12)

J.Q. Li, Z.P. Zhang, R.M. Luo, W.Q. Ao and F.S. Liu
Solvothermal synthesis of nano-sized skutterudite Co_1−xNi_xSb₃ powders (S17)

F.S. Liu, Q.B. Wang, S.P. Li, W.Q. Ao and J.Q. Li
Effect of Co substitution on the martensitic transformation and magnetocaloric properties of Ni₅₀Mn_35−xCo_xSn₁₅ (S22)

L. Fu, Y.Q. Guo and S. Zheng
X-ray diffraction studies on the effect of ball-milling speed on the structure of Cu(In,Ga)Se₂ nanoparticles (S28)

S. Li, S.F. Jin, J. Ji, Z.N. Guo and W.X. Yuan
Investigation on solid solubility and magnetism of the non-stoichiometric compound Fe₃Se₄ (S32)

M. Zhang, Z.J. Li and A.L. Meng
Study of temperature-dependent crystalline state evolution of
β-SiC nanorods by X-ray diffraction (S37)

Ming He, Z.H. Zhang, Y. Z. Zhu, Y.G. Tang and Z. Song
Luminescent properties of Eu³⁺-doped SmBa3B9O18 (S41)

A.M. Zhang, G.T. Zhou, J. Sun, T. Xu, L.L. Guo and X.S. Wu
Effect of Dy-doping on the microstructure and magnetic properties of Y_1−xDy_xMnO₃ (S45)

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

Powder Diffraction – Vol. 28 Issue S2 September 2013

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Michela Brunelli, Pierre Bordet and Paolo Scardi
Proceedings of the Thirteenth European Powder Diffraction Conference (S1)

Kenneth R. Beyerlein
A review of Debye Function Analysis (S2)

Ruggero Frison, Antonio Cervellino, Giuseppe Cernuto, Antonietta Guagliardi and Norberto Masciocchi
Testing the Debye Function Approach on a Laboratory X-ray Powder DiffractionEquipment. A Critical Study.(S11)

J. P. Cline, M. Leoni, D. Black, A. Henins, J. E. Bonevich, P. S. Whitfield and P. Scardi
Crystalline domain size and faulting in the new NIST SRM 1979 zinc oxide (S22)

C. González-Silgo, C. Guzmán-Afonso, V. M. Sánchez-Fajardo, S. Acosta-Gutiérrez, A. Sánchez-Soares, M. E. Torres, N. Sabalisck, E. Matesanz and J. Rodríguez-Carvajal
Polymorphism in Ho₂(MoO₄)₃ (S33)

H.F. Brito, J. Hölsä T. Laamanen, T. Laihinen, M. Lastusaari, L.C.V. Rodrigues, L. Pihlgren and T. Soukka
Rare Earth Distribution in NaRF4: Effect on Up-Conversion Intensity (S41)

U. V. Ancharova and S. V. Cherepanova
Domain structure investigation of non-stoichiometric strontium ferrites and cobaltites (S51)

N.V. Tarakina, A.P. Tyutyunnik, T.V. Dyachkova, L.L. Surat, B.V. Slobodin and V.G. Zubkov
Crystal structure of RbBaVO4 and high-pressure modification of KCaVO₄ (S65)

Izabela Jendrzejewska, Paweł Zajdel, Ewa Maciaqzek, Maria Sozanska and Tomasz Goryczka
X-ray powder diffraction and magnetic study of nominal Zn₁-xNdxCr₂Se₄ – compounds (x = 0.05, 01) (S75)

A. Hernández-Suárez, C. Guzmán-Afonso, J. López-Solano, C. González-Silgo, M. E. Torres, N. Sabalisck,
E. Matesanz and J. Rodríguez- Carvajal
Ferroic phase transition in LaEr(MoO₄)₃ (S86)

Sudipta Goswami, Dipten Bhattacharya, Gail N. Iles, Barnali Ghosh, Anastasiia A. Prytuliak, Benoit Malard,
Gopes C. Das, B. Ouladdiaf and T. Chatterji
Anomaly in structural noncentrosymmetry around TN in bulk and nanoscale BiFeO₃ (S94)

Simona Galli and Norberto Masciocchi
Enclosing the functional properties of pyrazolato-based coordination polymers within a structural frame: the role of laboratory X-ray powder diffraction (S106)

V. Sikolenko, V.V. Efimov, D.Többens, S. Schorr, C. Ritter, M.V. Bushinsky and I.O.Troyanchuk
Pressure effects on oxygen-deficient Ba-substituted cobaltites (S126)

H. J. Krzto´n, M. Niesler and Z. Kania
The application of the X-ray micro-diffraction to study some industrial problems (S133)

Dieter Jehnichen, Peter Friedel, Romy Selinger, Andreas Korwitz, Martin Wengenmayr, Andreas Berndt
and Doris Pospiech
Temperature dependant structural changes in thin films of random semifluorinated PMMA copolymers (S144)

Z. Matej, L. Matejová, and R. Kužel
XRD analysis of nanocrystalline anatase powders prepared by various chemical routes: correlations between micro-structure and crystal structure parameters (S161)

Michael Burgess, Alberto Leonardi, Matteo Leoni and Paolo Scardi
Diffraction line broadening from nanocrystals under large hydrostatic pressures (S184)

Hassen Agougui, Abdallah Aissa and Mongi Debbabi
Covalent modification of calcium hydroxy and fluoroapatite surface by grafting alkylphosphonate (S197)

G. Berti, F. De Marco and M. E. Del Seppia
Lattice deformation measurements via “on site X-ray diffraction” (S209)

Stephanie Ryding, Robert Cernik, Jenny Wooldridge, Tim L Burnett, Mark Stewart, Carlo Vecchini, Markys G. Cain, Alistair Lennie, Fajin Yuan, Chiu Tang and Paul Thompson
Simultaneous measurement of X-ray powder diffraction and ferroelectric polarisation data as a function of applied electric field at a range of frequencies (S220)

M. Müller, C. L. Azanza Ricardo, R. Di Maggio and P. Scardi
Growth kinetics of Cu2ZnSnS4 thin films and powders (S228)

H. Kohlmann, N. Kurtzemann and T. C. Hansen
Metal hydride formation in palladium and palladium rich intermetallic compounds studied by in situ neutron diffraction (S242)

Racha El Osta, Mark Feyand, Norbert Stock, Franck Millange and Richard I. Walton
Crystallisation Kinetics of Metal Organic Frameworks From in situ Time-Resolved X-ray Diffraction (S256)

M. Kučeráková, S. Vratislav, L. Kalvoda and M. Machek
Neutron diffraction study of the crystallographic preferential orientation of metagabro mylonite (S276)

Marwa Ammar, Walid Oueslati, Hafsia Ben Rhaiem and Abdesslem Ben Haj Amara
XRD profile modeling approach tools to investigate the effect of charge location on hydration behavior in the case of metal exchanged smectite (S284)

I. Tomov and S. Vassilev
Nullifying the extinction effect in XRD characterization of fibre textures (S301)

Ravinder Singh Joshia and Harpreet Singha
Using X-ray diffraction for studying the effect of modulation and machining parameters on deformation level in brass particulate produced by modulation assisted machining (S315)

M.Y. Xie, T.S. Jun, A.M. Korsunsky and M. Drakopoulos
Analysis of Preferred Orientations in Linear Friction Welded (LFW) Aluminium Alloy Specimens using “One-shot” Multi-element Energy Dispersive Synchrotron X-ray Diffraction (S327)

A.M.T. Bell, H-P. Liermann, J. Bednarcik and C.M.B. Henderson
Synchrotron X-ray powder diffraction study on synthetic Sr-Fresnoite (S333)

J. Kieffer and J.P. Wright
PyFAI: a Python library for high performance azimuthal integration on GPU (S339)

P. Mikula, M. Vrána, J. Šaroun, B.S. Seong and W. Woo
Double Bent Crystal Monochromator for High Resolution Neutron Powder Diffraction (S351)

F. Fauth, I. Peral, C. Popescu and M. Knapp
The new Material Science Powder Diffraction beamline at ALBA Synchrotron (S360)

H. Palancher, A. Bonnin, C.V. Colin, V. Nassif, V. Honkimäki , R. Jungwirth, C., Ritter, G. Champion and
Y. Calzavara
UMo/Al nuclear fuel plate behavior under thermal treatment (425-550°C) (S371)

Abderrahim Aatiq and My Rachid Tigha
Structural and spectroscopic study of NaSbR(PO₄)₃ (R = Cr, Fe, In) phases (S394)

Sonia Jebri, Habib Boughzala, Ali Bechrifa and Mohamed Jemal
Rietveld structural refinement of «A» type phosphostrontium carbonate hydroxyapatites (S409)

B. Peplinski, C. Adam, B. Adamczyk, R. Müller, R. Schadrack, M. Michaelis, F. Emmerling, H. Reuther, M. Menzel
Evidence of formation of the tridymite form of AlPO₄ in some municipal sewage
sludge ashes (S425)

Nikolaos Baimpas, Mengyin Xie, Christina Reinhard and Alexander M. Korsunsky
The application of geometry corrections for Diffraction Strain Tomography (DST) analysis of a Ni-base superalloy blade (S436)

S. T. B. Salvi, S. G. Antonio and C. O. Paiva-Santos
Atenolol characterization in solid formulations available in Brazilian market (S448)

Kenny Ståhl, Christian G. Frankær, Jakob Petersen, and Pernille Harris
Monitoring protein precipitates by in-house X-ray powder diffraction (S458)

Anna Portell, Xavier Alcobé, Max Latévi, Radovan Cerný and Rafel Prohens
Crystal structure solution of an elusive polymorph of Dibenzylsquaramide (S470)

Oriol Vallcorba, Anna Crespi, Jordi Rius and Carles Miravitlles
Use of TALP with laboratory powder diffraction data from 2D detectors (S481)

Fanny N. Costa, Fabio Furlan Ferreira, Tiago F. da Silva, Eliezer J. Barreiro, Lídia M. Lima, Delson Braz and Regina C. Barroso
Structure Re-determination of LASSBio-294 – a cardioactive compound of the Nacylhydrazone class – using X-ray powder diffraction data (S491)

N.V. Tarakina, A.P. Tyutyunnik, Ya.V. Baklanova, L.G. Maksimova, T.A. Denisova and R.B. Neder
Crystal structure of a new HfO(OH)₂ oxyhydroxide (S510)

Abstracts, Editorials, and International Reports from Powder Diffraction are now available online free of charge. To view the abstracts with option to purchase articles or login if you have a subscription, please visit Cambridge Journals Online.

Powder Diffraction – Vol. 28 Number 4 – December 2013

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EDITORIAL

Tom Blanton
Ting Huang and Powder Diffraction Journal, PDJ (247)

Victor E. Buhrke
Tribute to Dr. Ting C. Huang, PhD (January 10, 1942–September 2, 2013) (248)

TECHNICAL ARTICLES

Atsushi Ohbuchi, Takayuki Konya and Go Fujinawa
Improved bench-top X-ray diffractometer for crystalline phase analysis of cement (249)

Hasitha Ganegoda, James A. Kaduk and Carlo U. Segre
X-ray powder diffraction refinement of PbTi_(1−x|)FexO_(3−δ) solid solution series (254)

Jia-Yong Si and Ge-Mei Cai
Synthesis and characterization of powder four borate Sr₃Sm₂(BO₃)₄ (262)

Sytle M. Antao
Unit-cell parameters for scapolite solid solutions and a discontinuity at Me₇₅, ideally NaCa₃[Al₅Si₇O₂₄](CO₃) (269)

Jinlong Zhu, Wei Han, Jianzhong Zhang, Hongwu Xu, Sven C. Vogel, Changqing Jin, Fujio Izumi, Koichi Momma, Yukihiko Kawamura and Yusheng Zhao
Nuclear and charge density distributions in ferroelectric PbTiO₃: maximum entropy method analysis of neutron and X-ray diffraction data (276)

Sytle M. Antao
The mystery of birefringent garnet: is the symmetry lower than cubic? (281)

NEW DIFFRACTION DATA

J. Maixner
X-ray powder diffraction data for bis (1-amidino-2-ethylisourea) copper(II) nitrate (289)
Zhenwei Wen, Chen Liu, Lingmin Zeng and Jialin Yan – X-ray powder diffraction data for compound Er₃Co₄Al₁₂ (293)

R. Pažout, J. Maixner, A.S. Jones and J. Merna
X-ray powder diffraction data for copper(II), bis[(2E)-3-methoxy-2-[(2,6-dimethylphenyl)imino]-4-[(2,6-dimethylphenyl)imino-κN]-3-pentanolato-κO] complex (296)

Zhao Lu, Ming Qin, Liuqing Liang, Shuhui Liu, Caiming Huang, Peiling Qing and Lingmin Zeng
X-ray powder diffraction data for the Al₃Ho₂Si₂ ternary compound (299)

Pei Xiao Tang, Xiao Qing Wu, Qing Qing Pan, Li Li Zhang, Qiang Cheng and Hui Li
X-ray powder diffraction data for norandrostenedione (302)

J. Maixner and V. Bartunek
X-ray powder diffraction data for potassium erbium fluoride (305)

M.A. Macías, J.A. Henao, Arnold R. Romero Bohórquez and Vladimir V. Kouznetsov
Synthesis and X-ray powder diffraction data of cis-4-(4-methoxyphenyl)-3-methyl-6-nitro-2-phenyl-1,2,3,4-tetrahydroquinoline (307)

Dan Xiao, Li Li Zhang, Xiao Qing Wu, Jin Yan, Wei Luo and Hui Li
X-ray powder diffraction data for peiminine (312)

Jose H. Quintana, J.A. Henao, Elvis Robles and Juan Manuel Urbina
Synthesis and X-ray diffraction data of 4-benzyloxy-1-oxaspiro-[4.6]-undec-3-en-2-one (315)

INTERNATIONAL REPORTS

Denise Flaherty
2013 DXC Summary (321)

Brian H. Toby
The 2013 American Crystallographic Association Meeting (325)

CALENDARS

Gang Wang – Calendar of Forthcoming Meetings Powder Diffraction December 2013 (326)

Gang Wang – Calendar of Short Courses & Workshops Powder Diffraction December 2013 (327)